REMARK  Name = BDB063251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.382  -1.412   0.933  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.142  -0.867   0.932  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.728  -1.296   1.859  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        0.388  -2.221   2.784  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1       -0.865  -2.753   2.803  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.746  -2.339   1.879  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.386  -1.649  -0.624  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -2.316  -0.960  -0.046  0.00  0.00    -0.279 N 
ATOM      9  C   LIG    1       -2.307   0.307  -0.630  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -3.430   0.330  -1.450  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -3.747   1.490  -2.176  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.923   2.613  -2.056  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.809   2.585  -1.221  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.483   1.438  -0.487  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -4.088  -0.864  -1.419  0.00  0.00    -0.232 NA
BRANCH   7  17
ATOM     16  C   LIG    1       -4.950  -3.392   0.246  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -3.668  -3.117  -0.525  0.00  0.00    +0.071 C 
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  N   LIG    1        2.024  -0.789   1.939  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        2.505  -1.204   2.724  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.792   0.026   1.100  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.393   0.427  -0.177  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        3.190   1.282  -0.948  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.402   1.765  -0.459  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        4.811   1.385   0.816  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.010   0.528   1.584  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        5.080   2.590  -1.312  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        6.325   3.103  -0.857  0.00  0.00    +0.277 C 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5